2-(benzimidazol-1-yl)-1-cyclohexylethanamine

C15H21N3 — CID 113448385

IUPAC2-(benzimidazol-1-yl)-1-cyclohexylethanamine
SMILESNC(Cn1cnc2ccccc21)C1CCCCC1
InChIInChI=1S/C15H21N3/c16-13(12-6-2-1-3-7-12)10-18-11-17-14-8-4-5-9-15(14)18/h4-5,8-9,11-13H,1-3,6-7,10,16H2
InChIKeyUTPBFYNMUOJPIS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.94
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-cyclohexylethanamine

2-(benzimidazol-1-yl)-1-cyclohexylethanamine (PubChem CID 113448385) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-cyclohexylethanamine
PubChem CID113448385
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(benzimidazol-1-yl)-1-cyclohexylethanamine
SMILESNC(Cn1cnc2ccccc21)C1CCCCC1
InChIInChI=1S/C15H21N3/c16-13(12-6-2-1-3-7-12)10-18-11-17-14-8-4-5-9-15(14)18/h4-5,8-9,11-13H,1-3,6-7,10,16H2
InChIKeyUTPBFYNMUOJPIS-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856
2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 105155793
3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
CID 122230769
2-(benzimidazol-1-yl)-1-[(1E)-cycloocten-1-yl]ethanamine
CID 106656768
[2-(benzimidazol-1-yl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312332
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
1-(benzimidazol-1-yl)hept-5-yn-2-amine
CID 105181339
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(2-amino-2-cyclopentylethyl)pyridin-2-one
CID 104747056

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-cyclohexylethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-1-cyclohexylethanamine (CID 113448385) is 2-(benzimidazol-1-yl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-cyclohexylethanamine is NC(Cn1cnc2ccccc21)C1CCCCC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-cyclohexylethanamine?
The InChIKey is UTPBFYNMUOJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-13(12-6-2-1-3-7-12)10-18-11-17-14-8-4-5-9-15(14)18/h4-5,8-9,11-13H,1-3,6-7,10,16H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-cyclohexylethanamine?
2-(benzimidazol-1-yl)-1-cyclohexylethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-cyclohexylethanamine is sourced from PubChem (CID 113448385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).